(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol

C10H9FN2OS — CID 118355623

IUPAC(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol
SMILESNc1cc(C(O)c2nccs2)ccc1F
InChIInChI=1S/C10H9FN2OS/c11-7-2-1-6(5-8(7)12)9(14)10-13-3-4-15-10/h1-5,9,14H,12H2
InChIKeyNDDQHKSGRNHFAH-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.95
Rot. Bonds2

About (3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol

(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol (PubChem CID 118355623) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol
PubChem CID118355623
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol
SMILESNc1cc(C(O)c2nccs2)ccc1F
InChIInChI=1S/C10H9FN2OS/c11-7-2-1-6(5-8(7)12)9(14)10-13-3-4-15-10/h1-5,9,14H,12H2
InChIKeyNDDQHKSGRNHFAH-UHFFFAOYSA-N
XLogP1.95
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol
CID 107128181
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
(1S)-1-(3-amino-4-fluorophenyl)ethanol
CID 70331602
1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol
CID 131172938
(3-cyclobutylphenyl)-(1,3-thiazol-2-yl)methanol
CID 114601615
(4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 114518732
1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 63077873
(3-amino-4-fluorophenyl)-methoxymethanol
CID 123185481
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 81154688
(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol
CID 86730392
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol (CID 118355623) is (3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol is Nc1cc(C(O)c2nccs2)ccc1F.
What is the InChIKey of (3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol?
The InChIKey is NDDQHKSGRNHFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c11-7-2-1-6(5-8(7)12)9(14)10-13-3-4-15-10/h1-5,9,14H,12H2.
What are the key properties of (3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol?
(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol has a molecular weight of 224.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 118355623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).